==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 13-FEB-12 4DPB . COMPND 2 MOLECULE: PLASTOCYANIN A, CHLOROPLASTIC; . SOURCE 2 ORGANISM_SCIENTIFIC: POPULUS NIGRA; . AUTHOR G.S.KACHALOVA,A.H.SHOSHEVA,G.P.BOURENKOV,A.A.DONCHEV,M.I.DIM . 99 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 61 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 21.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 10 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 X I 0 0 61 0, 0.0 27,-2.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 131.4 30.6 -2.4 1.1 2 2 X D E -a 28 0A 94 25,-0.2 2,-0.5 27,-0.1 27,-0.2 -0.778 360.0-168.7 -93.9 136.4 31.5 0.9 2.7 3 3 X V E -a 29 0A 0 25,-2.9 27,-3.0 -2,-0.4 2,-0.3 -0.991 15.9-137.2-126.1 120.7 28.7 3.5 3.2 4 4 X L E -aB 30 15A 42 11,-2.8 11,-2.0 -2,-0.5 2,-0.8 -0.612 5.7-143.2 -78.4 138.6 29.5 7.1 4.2 5 5 X L E S+aB 31 14A 0 25,-2.9 27,-2.6 -2,-0.3 28,-2.0 -0.885 84.8 8.6-100.4 103.9 27.4 8.7 6.8 6 6 X G S S- 0 0 0 7,-2.6 6,-0.2 -2,-0.8 9,-0.2 0.248 95.0-100.3 89.7 134.1 27.2 12.3 5.5 7 7 X A > - 0 0 14 4,-2.5 3,-2.3 25,-0.1 -2,-0.0 -0.411 31.3-103.9 -82.0 166.2 28.6 13.1 2.0 8 8 X D T 3 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.574 122.9 55.0 -67.7 -8.8 32.0 14.7 1.3 9 9 X D T 3 S- 0 0 126 2,-0.1 -1,-0.3 24,-0.1 -3,-0.0 0.266 124.8-101.8-102.7 11.3 30.2 18.0 0.6 10 10 X G S < S+ 0 0 42 -3,-2.3 -2,-0.1 1,-0.3 23,-0.0 0.336 71.6 150.1 88.1 -6.9 28.5 17.9 4.1 11 11 X S - 0 0 58 1,-0.1 -4,-2.5 -5,-0.1 2,-1.8 -0.245 55.8-117.9 -62.5 138.8 25.0 16.7 2.7 12 12 X L S S+ 0 0 61 -6,-0.2 2,-0.3 78,-0.1 -1,-0.1 -0.546 71.8 118.6 -83.6 87.7 23.1 14.6 5.2 13 13 X A - 0 0 30 -2,-1.8 -7,-2.6 79,-0.1 2,-0.4 -0.985 67.9-116.3-149.8 149.5 23.0 11.5 3.1 14 14 X F E -B 5 0A 5 79,-0.4 -9,-0.2 -2,-0.3 3,-0.1 -0.799 41.3-124.4 -82.8 135.6 24.1 7.9 3.0 15 15 X V E S+B 4 0A 60 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.1 -0.934 101.7 18.0-128.0 108.4 26.6 7.4 0.2 16 16 X P S S+ 0 0 50 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.615 80.9 178.9 -75.1 162.2 25.5 5.2 -1.6 17 17 X S S S+ 0 0 49 1,-0.2 78,-2.4 -2,-0.1 2,-0.4 0.730 70.5 41.6-101.8 -27.2 22.0 5.2 -0.3 18 18 X E E S+d 95 0B 139 76,-0.2 2,-0.3 -4,-0.1 -1,-0.2 -0.990 75.4 138.4-121.0 128.1 20.5 2.4 -2.6 19 19 X F E -d 96 0B 22 76,-1.6 78,-2.2 -2,-0.4 2,-0.4 -0.977 39.7-127.1-160.9 163.0 22.6 -0.7 -3.1 20 20 X S E +d 97 0B 72 -2,-0.3 2,-0.3 76,-0.2 78,-0.2 -0.940 25.2 174.5-121.5 145.4 22.4 -4.5 -3.4 21 21 X I E -d 98 0B 2 76,-2.6 78,-2.5 -2,-0.4 3,-0.1 -0.831 26.3-116.2-136.7 170.9 24.4 -7.1 -1.5 22 22 X S > - 0 0 63 -2,-0.3 3,-2.0 76,-0.2 52,-0.2 -0.728 53.8 -70.3-101.3 164.2 24.6 -10.9 -1.1 23 23 X P T 3 S+ 0 0 62 0, 0.0 52,-0.2 0, 0.0 -1,-0.1 -0.247 118.6 10.7 -56.2 137.7 24.0 -12.8 2.1 24 24 X G T 3 S+ 0 0 52 50,-3.4 2,-0.4 1,-0.2 51,-0.1 0.354 87.7 143.5 79.6 -8.5 26.6 -12.3 4.8 25 25 X E < - 0 0 80 -3,-2.0 49,-0.6 49,-0.3 -1,-0.2 -0.564 54.8-114.2 -67.0 127.1 28.4 -9.4 2.9 26 26 X K E - C 0 73A 116 -2,-0.4 2,-0.4 47,-0.2 47,-0.2 -0.303 25.0-162.6 -61.6 139.3 29.7 -6.8 5.3 27 27 X I E - C 0 72A 0 45,-1.9 45,-2.3 2,-0.0 2,-0.6 -0.999 5.7-166.9-116.6 125.5 28.2 -3.3 5.3 28 28 X V E -aC 2 71A 19 -27,-2.7 -25,-2.9 -2,-0.4 2,-0.6 -0.941 3.5-162.0-113.4 107.6 30.4 -0.8 7.1 29 29 X F E -aC 3 70A 0 41,-2.8 41,-2.2 -2,-0.6 2,-0.5 -0.810 16.1-165.1 -89.0 121.2 28.5 2.5 7.8 30 30 X K E -aC 4 69A 77 -27,-3.0 -25,-2.9 -2,-0.6 39,-0.2 -0.932 22.2-120.3-121.7 123.1 31.2 5.1 8.5 31 31 X N E +a 5 0A 2 37,-3.1 36,-2.5 -2,-0.5 -25,-0.1 -0.396 45.9 153.7 -58.7 125.5 30.8 8.6 10.1 32 32 X N - 0 0 18 -27,-2.6 2,-0.3 1,-0.4 -26,-0.2 0.736 56.2 -10.8-120.9 -57.1 32.0 11.1 7.5 33 33 X A S S+ 0 0 22 -28,-2.0 -1,-0.4 -22,-0.1 -24,-0.1 -0.991 115.5 26.0-152.6 144.1 30.4 14.5 7.9 34 34 X G S S- 0 0 40 -2,-0.3 -28,-0.1 1,-0.2 -1,-0.1 0.628 91.0-169.1 80.5 11.9 27.5 16.1 9.9 35 35 X F + 0 0 72 -30,-0.2 -1,-0.2 2,-0.1 2,-0.2 -0.266 60.0 90.2 -68.5 159.8 27.7 13.5 12.7 36 36 X P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 28,-0.2 0.340 68.6 153.9 -67.5 149.8 26.3 12.4 15.1 37 37 X H B -G 63 0C 0 26,-1.6 26,-3.1 -2,-0.2 2,-0.3 -0.937 23.7-167.4-135.3 165.7 24.5 9.9 12.9 38 38 X N - 0 0 0 -2,-0.3 2,-0.4 24,-0.2 49,-0.1 -0.892 18.5-130.5-142.4-179.9 22.9 6.5 13.3 39 39 X I + 0 0 0 -2,-0.3 18,-2.6 19,-0.2 2,-0.4 -0.967 26.7 177.5-137.1 115.8 21.6 3.7 11.1 40 40 X V E -E 83 0B 10 43,-3.0 43,-2.2 -2,-0.4 2,-0.4 -0.982 22.3-140.6-123.1 124.9 18.2 2.3 12.0 41 41 X F E -E 82 0B 4 -2,-0.4 2,-0.6 16,-0.3 41,-0.3 -0.720 29.0-116.7 -82.3 134.4 16.4 -0.4 10.0 42 42 X D > - 0 0 54 39,-2.5 3,-2.2 -2,-0.4 39,-0.3 -0.574 18.1-147.4 -76.1 115.6 12.6 0.3 9.7 43 43 X E T 3 S+ 0 0 141 -2,-0.6 3,-0.5 1,-0.3 -1,-0.2 0.752 96.7 50.8 -56.0 -27.3 11.0 -2.6 11.5 44 44 X D T 3 S+ 0 0 137 1,-0.2 -1,-0.3 37,-0.0 -2,-0.1 0.528 109.8 50.2 -99.3 18.5 8.0 -2.4 9.2 45 45 X S S < S+ 0 0 48 -3,-2.2 36,-1.9 36,-0.2 -1,-0.2 -0.078 88.5 89.3-147.8 36.3 10.1 -2.5 6.0 46 46 X I S S- 0 0 28 -3,-0.5 34,-0.2 34,-0.2 3,-0.2 -0.824 84.1 -67.0-126.9 166.8 12.5 -5.4 6.3 47 47 X P > - 0 0 19 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.038 67.9 -69.8 -64.3 155.9 12.1 -9.1 5.3 48 48 X S T 3 S- 0 0 121 1,-0.3 28,-0.0 0, 0.0 0, 0.0 -0.126 115.0 -1.9 -49.2 122.3 9.7 -11.6 6.8 49 49 X G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.406 88.9 146.3 81.3 -2.7 10.7 -12.5 10.3 50 50 X V < - 0 0 30 -3,-2.3 2,-0.8 1,-0.1 -1,-0.2 -0.475 47.9-131.7 -72.6 136.3 13.9 -10.5 10.6 51 51 X D > - 0 0 76 -2,-0.2 3,-1.8 1,-0.2 4,-0.5 -0.774 10.5-157.1 -86.4 107.8 14.7 -9.1 14.0 52 52 X A G >> S+ 0 0 20 -2,-0.8 3,-1.3 1,-0.3 4,-1.2 0.827 89.9 64.3 -54.7 -31.4 15.5 -5.4 13.5 53 53 X S G 34 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.724 94.7 59.0 -69.3 -19.4 17.5 -5.4 16.7 54 54 X K G <4 S+ 0 0 170 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.684 121.0 25.2 -74.4 -20.8 20.1 -7.9 15.3 55 55 X I T <4 S+ 0 0 13 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.409 111.8 70.8-125.4 -2.6 20.9 -5.5 12.5 56 56 X S < - 0 0 20 -4,-1.2 -16,-0.2 -5,-0.1 2,-0.2 -0.863 65.7-125.9-124.4 154.3 20.2 -2.0 13.7 57 57 X M - 0 0 11 -18,-2.6 -16,-0.3 -2,-0.3 2,-0.2 -0.551 43.7-109.6 -76.3 156.2 21.3 0.7 15.9 58 58 X S - 0 0 44 -2,-0.2 3,-0.2 1,-0.1 -19,-0.2 -0.505 28.2-109.7 -75.0 166.6 18.5 2.0 18.2 59 59 X E S S+ 0 0 94 1,-0.2 -1,-0.1 -2,-0.2 -19,-0.1 0.802 121.0 51.8 -66.4 -25.8 17.2 5.4 17.4 60 60 X E S S+ 0 0 149 25,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.779 91.2 91.4 -80.3 -29.8 18.8 6.6 20.7 61 61 X D - 0 0 85 -3,-0.2 2,-0.4 -22,-0.0 -4,-0.1 -0.367 60.1-169.5 -65.7 146.3 22.3 5.2 19.8 62 62 X L - 0 0 74 -24,-0.1 2,-0.6 -2,-0.1 -24,-0.2 -0.993 29.5-136.3-137.5 148.3 24.7 7.5 18.0 63 63 X L B +G 37 0C 16 -26,-3.1 -26,-1.6 -2,-0.4 7,-0.1 -0.918 31.1 177.7 -93.7 119.5 28.0 7.3 16.2 64 64 X N + 0 0 98 -2,-0.6 2,-0.4 -28,-0.2 -1,-0.1 0.540 47.1 66.3-103.3 -15.2 29.7 10.4 17.7 65 65 X A S > S- 0 0 37 4,-0.0 3,-2.0 1,-0.0 -34,-0.2 -0.896 85.4-102.8-119.3 142.9 33.2 10.5 16.1 66 66 X K T 3 S+ 0 0 132 -2,-0.4 -34,-0.2 1,-0.3 3,-0.1 -0.448 111.7 20.2 -55.8 132.0 34.5 11.0 12.6 67 67 X G T 3 S+ 0 0 41 -36,-2.5 -1,-0.3 1,-0.3 -35,-0.1 0.257 89.3 136.2 89.0 -11.0 35.5 7.6 11.3 68 68 X E < - 0 0 71 -3,-2.0 -37,-3.1 -38,-0.1 -1,-0.3 -0.419 38.8-156.7 -67.3 145.6 33.4 5.6 13.8 69 69 X T E -C 30 0A 69 -39,-0.2 2,-0.4 -3,-0.1 -39,-0.2 -0.870 27.0-153.1-128.1 160.6 31.5 2.8 12.2 70 70 X F E -C 29 0A 46 -41,-2.2 -41,-2.8 -2,-0.3 2,-0.4 -0.992 24.3-162.6-125.3 119.7 28.6 0.5 12.6 71 71 X E E +C 28 0A 119 -2,-0.4 2,-0.3 -43,-0.2 -43,-0.2 -0.903 15.9 164.1-107.5 134.0 29.1 -2.8 10.8 72 72 X V E -C 27 0A 11 -45,-2.3 -45,-1.9 -2,-0.4 2,-0.5 -0.995 22.2-157.8-146.6 131.4 26.3 -5.2 9.9 73 73 X A E -C 26 0A 47 -2,-0.3 2,-0.3 -47,-0.2 -47,-0.2 -0.961 19.1-146.2-100.5 138.2 26.0 -8.2 7.6 74 74 X L - 0 0 1 -49,-0.6 -50,-3.4 -2,-0.5 -49,-0.3 -0.735 17.4-179.9 -98.6 155.8 22.4 -9.1 6.5 75 75 X S + 0 0 77 -2,-0.3 -1,-0.1 -52,-0.2 -50,-0.1 0.679 52.7 77.1-117.3 -59.4 21.3 -12.6 5.8 76 76 X N S S- 0 0 83 1,-0.1 22,-0.2 -29,-0.1 2,-0.1 -0.333 79.8-115.5 -68.2 139.3 17.7 -12.9 4.7 77 77 X K + 0 0 133 20,-0.1 2,-0.2 -3,-0.1 22,-0.2 -0.442 68.9 63.1 -73.5 144.0 16.9 -12.0 1.1 78 78 X G E S- F 0 98B 26 20,-2.2 20,-2.8 -2,-0.1 2,-0.3 -0.803 84.8 -42.5 135.8-175.5 14.7 -9.0 0.4 79 79 X E E - F 0 97B 109 -2,-0.2 2,-0.5 18,-0.2 18,-0.2 -0.693 42.2-167.8 -92.0 137.9 14.5 -5.3 0.7 80 80 X Y E - F 0 96B 2 16,-2.6 16,-2.5 -2,-0.3 2,-0.4 -0.970 5.4-158.5-127.2 115.1 15.6 -3.4 3.8 81 81 X S E + F 0 95B 32 -36,-1.9 -39,-2.5 -2,-0.5 2,-0.3 -0.773 19.7 173.1 -91.7 139.3 14.7 0.3 4.3 82 82 X F E -EF 41 94B 4 12,-2.5 12,-2.6 -2,-0.4 2,-0.3 -0.896 10.3-177.2-142.5 167.5 16.8 2.2 6.8 83 83 X Y E -EF 40 93B 25 -43,-2.2 -43,-3.0 -2,-0.3 2,-0.6 -0.982 34.7-109.5-157.0 162.7 17.4 5.8 8.0 84 84 X C >> - 0 0 0 8,-2.5 4,-0.5 -2,-0.3 3,-0.5 -0.923 34.9-143.2 -96.2 118.9 19.4 8.0 10.3 85 85 X S G >4 S+ 0 0 29 -2,-0.6 3,-1.1 1,-0.2 4,-0.3 0.930 93.3 43.5 -58.1 -50.0 17.0 8.9 13.0 86 86 X P G 34 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.749 125.4 36.1 -68.4 -18.6 18.0 12.6 13.7 87 87 X H G <>>S+ 0 0 35 -3,-0.5 5,-2.1 5,-0.2 4,-0.5 0.201 81.4 110.6-116.5 14.5 18.3 13.3 10.0 88 88 X Q T X<5S+ 0 0 86 -3,-1.1 3,-1.8 -4,-0.5 -1,-0.1 0.925 80.6 46.6 -62.5 -49.5 15.4 11.3 8.5 89 89 X G T 345S+ 0 0 87 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.829 104.8 62.4 -65.6 -24.2 13.2 14.2 7.5 90 90 X A T 345S- 0 0 75 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.582 129.0 -98.5 -68.7 -14.7 16.2 15.9 5.9 91 91 X G T <<5S+ 0 0 43 -3,-1.8 2,-1.9 -4,-0.5 -3,-0.2 0.524 74.1 146.7 111.3 7.1 16.3 12.9 3.6 92 92 X M < + 0 0 0 -5,-2.1 -8,-2.5 -8,-0.2 2,-0.3 -0.558 38.1 117.5 -83.1 83.1 19.0 10.7 5.2 93 93 X V E + F 0 83B 65 -2,-1.9 -79,-0.4 -10,-0.2 2,-0.3 -0.884 35.5 175.6-139.2 165.6 17.5 7.4 4.3 94 94 X G E - F 0 82B 9 -12,-2.6 -12,-2.5 -2,-0.3 2,-0.3 -0.970 20.2-136.5-163.0 177.6 18.4 4.4 2.1 95 95 X K E -dF 18 81B 60 -78,-2.4 -76,-1.6 -2,-0.3 2,-0.4 -0.949 11.5-165.9-149.1 127.2 17.4 0.9 1.0 96 96 X V E -dF 19 80B 0 -16,-2.5 -16,-2.6 -2,-0.3 2,-0.5 -0.941 8.7-153.8-113.4 135.4 19.6 -2.2 0.6 97 97 X T E -dF 20 79B 34 -78,-2.2 -76,-2.6 -2,-0.4 2,-0.6 -0.936 2.2-155.3-109.7 127.2 18.4 -5.2 -1.3 98 98 X V E dF 21 78B 2 -20,-2.8 -20,-2.2 -2,-0.5 -76,-0.2 -0.897 360.0 360.0 -98.7 118.4 19.8 -8.7 -0.4 99 99 X N 0 0 120 -78,-2.5 -2,-0.0 -2,-0.6 -79,-0.0 -0.742 360.0 360.0-119.5 360.0 19.6 -11.0 -3.4